XDS.INP: Difference between revisions

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Revision as of 15:09, 4 February 2010

133 bytes added ,  4 February 2010
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  NAME_TEMPLATE_OF_DATA_FRAMES=../mk/mk04_1_???.img  
  NAME_TEMPLATE_OF_DATA_FRAMES=../mk/mk04_1_???.img  
  DATA_RANGE=1 720
  DATA_RANGE=1 720
  SPOT_RANGE=1 360
  SPOT_RANGE=1 360   ! SPOT_RANGE= first half of DATA_RANGE; that is ample
  BACKGROUND_RANGE=1 10
  BACKGROUND_RANGE=1 10
   
   
Line 135: Line 135:
  UNIT_CELL_CONSTANTS= 70 80 90 90 90 90
  UNIT_CELL_CONSTANTS= 70 80 90 90 90 90
   
   
  ! remove the exclamation marks if anom signal is present  
  ! remove the exclamation marks if anomalous signal is present or expected
  ! FRIEDEL'S_LAW=FALSE  
  ! FRIEDEL'S_LAW=FALSE  
  ! STRICT_ABSORPTION_CORRECTION=TRUE ! but read Tips_and_Tricks in XDSwiki
  ! STRICT_ABSORPTION_CORRECTION=TRUE ! but read Tips_and_Tricks in XDSwiki
Line 149: Line 149:
  ! parameters specifically for this detector and beamline:
  ! parameters specifically for this detector and beamline:
  DETECTOR= ADSC  MINIMUM_VALID_PIXEL_VALUE= 1  OVERLOAD= 65000
  DETECTOR= ADSC  MINIMUM_VALID_PIXEL_VALUE= 1  OVERLOAD= 65000
  !NX=  3072  NY=  3072  QX= 0.10260  QY= 0.10260 !latest version finds this out by itself
  !NX=  3072  NY=  3072  QX= 0.10260  QY= 0.10260 ! XDS finds this out by itself
  DIRECTION_OF_DETECTOR_X-AXIS=1 0 0
  DIRECTION_OF_DETECTOR_X-AXIS=1 0 0
  DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0
  DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0
Line 185: Line 185:
  REFINE(INTEGRATE)=CELL BEAM ORIENTATION
  REFINE(INTEGRATE)=CELL BEAM ORIENTATION
   
   
  ! parameters specifically for this detector and beamline:
  ! parameters for this detector and beamline:
DETECTOR=CCDCHESS        MINIMUM_VALID_PIXEL_VALUE=1    OVERLOAD=65500
! XDS picks up NX, NY, QX, QY automatically; possibilities are:
  !NX=3072 NY=3072 QX=0.073242  QY=0.073242  !MARCCD 225mm version
  !NX=3072 NY=3072 QX=0.073242  QY=0.073242  !MARCCD 225mm version
  !NX=2048 NY=2048 QX=0.079092  QY=0.079092  !MARCCD 165mm version
  !NX=2048 NY=2048 QX=0.079092  QY=0.079092  !MARCCD 165mm version
  !NX=4096 NY=4096 QX=0.079346  QY=0.079346  !MARCCD 325mm version
  !NX=4096 NY=4096 QX=0.079346  QY=0.079346  !MARCCD 325mm version
  !NX=4096 NY=4096 QX=0.073242 QY=0.073242    !MARCCD 300mm at APS (22-ID)
  !NX=4096 NY=4096 QX=0.073242 QY=0.073242    !MARCCD 300mm at APS (22-ID)
DETECTOR=CCDCHESS        MINIMUM_VALID_PIXEL_VALUE=1    OVERLOAD=65500
 
  DIRECTION_OF_DETECTOR_X-AXIS=1 0 0
  DIRECTION_OF_DETECTOR_X-AXIS=1 0 0
  DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0
  DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0
  INCIDENT_BEAM_DIRECTION=0 0 1
  INCIDENT_BEAM_DIRECTION=0 0 1
  ROTATION_AXIS=1 0 0                 ! at e.g. SERCAT ID-22 this needs to be -1 0 0
  ROTATION_AXIS=1 0 0                   ! at e.g. SERCAT ID-22 this needs to be -1 0 0
  FRACTION_OF_POLARIZATION=0.99  
  FRACTION_OF_POLARIZATION=0.99  
  POLARIZATION_PLANE_NORMAL=0 1 0
  POLARIZATION_PLANE_NORMAL=0 1 0
Line 226: Line 228:
  REFINE(INTEGRATE)=CELL BEAM ORIENTATION
  REFINE(INTEGRATE)=CELL BEAM ORIENTATION
   
   
  ! parameters specifically for this detector and beamline:
  ! parameters specifically for this detector and beamline  
  ! X-GEO_CORR=/some/directory/GD_6M_X06SA_SLS_27022007_X.pck ! as of April 2009, these files
  ! (e.g. for the PILATUS 6M, XDS picks up NX=2463 NY=2527 automatically)
! Y-GEO_CORR=/some/directory/GD_6M_X06SA_SLS_27022007_Y.pck ! should no longer be used, I heard
   
   
  DETECTOR=PILATUS NX=2463 NY=2527 QX=0.172  QY=0.172 !PILATUS 6M
  DETECTOR=PILATUS QX=0.172  QY=0.172
  DIRECTION_OF_DETECTOR_X-AXIS=1 0 0
  DIRECTION_OF_DETECTOR_X-AXIS=1 0 0
  DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0
  DIRECTION_OF_DETECTOR_Y-AXIS=0 1 0
Line 238: Line 239:
  POLARIZATION_PLANE_NORMAL=0 1 0
  POLARIZATION_PLANE_NORMAL=0 1 0
  SENSOR_THICKNESS=0.32
  SENSOR_THICKNESS=0.32
  UNTRUSTED_RECTANGLE= 487  495    1 2527
  UNTRUSTED_RECTANGLE= 487  495    1 2527 ! these do not have to be specified
  UNTRUSTED_RECTANGLE= 981  989    1 2527
  UNTRUSTED_RECTANGLE= 981  989    1 2527 ! but it does not hurt either
  UNTRUSTED_RECTANGLE=1475 1483    1 2527
  UNTRUSTED_RECTANGLE=1475 1483    1 2527 ! ...
  UNTRUSTED_RECTANGLE=1969 1977    1 2527
  UNTRUSTED_RECTANGLE=1969 1977    1 2527 ! ...
  UNTRUSTED_RECTANGLE=  1 2463  195  213
  UNTRUSTED_RECTANGLE=  1 2463  195  213 ! ...
  UNTRUSTED_RECTANGLE=  1 2463  407  425
  UNTRUSTED_RECTANGLE=  1 2463  407  425 ! ...
  UNTRUSTED_RECTANGLE=  1 2463  619  637
  UNTRUSTED_RECTANGLE=  1 2463  619  637 ! ...
  UNTRUSTED_RECTANGLE=  1 2463  831  849
  UNTRUSTED_RECTANGLE=  1 2463  831  849 ! ...
  UNTRUSTED_RECTANGLE=  1 2463  1043 1061
  UNTRUSTED_RECTANGLE=  1 2463  1043 1061 ! ...
  UNTRUSTED_RECTANGLE=  1 2463  1255 1273
  UNTRUSTED_RECTANGLE=  1 2463  1255 1273 ! ...
  UNTRUSTED_RECTANGLE=  1 2463  1467 1485
  UNTRUSTED_RECTANGLE=  1 2463  1467 1485 ! ...
  UNTRUSTED_RECTANGLE=  1 2463  1679 1697
  UNTRUSTED_RECTANGLE=  1 2463  1679 1697 ! ...
  UNTRUSTED_RECTANGLE=  1 2463  1891 1909
  UNTRUSTED_RECTANGLE=  1 2463  1891 1909 ! ...
  UNTRUSTED_RECTANGLE=  1 2463  2103 2121
  UNTRUSTED_RECTANGLE=  1 2463  2103 2121 ! ...
  UNTRUSTED_RECTANGLE=  1 2463  2315 2333
  UNTRUSTED_RECTANGLE=  1 2463  2315 2333 ! ...
  NUMBER_OF_PROFILE_GRID_POINTS_ALONG_ALPHA/BETA=13 !used by: INTEGRATE
  NUMBER_OF_PROFILE_GRID_POINTS_ALONG_ALPHA/BETA=13 !used by: INTEGRATE
  ! NUMBER_OF_PROFILE_GRID_POINTS_ALONG_GAMMA= 9    !used by: INTEGRATE
  ! NUMBER_OF_PROFILE_GRID_POINTS_ALONG_GAMMA= 9    !used by: INTEGRATE
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